[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO5S/c1-15-3-5-20(6-4-15)30(27,28)24-8-7-21(25)29-16(2)22(26)23-12-17-9-18(13-23)11-19(10-17)14-23/h3-6,16-19,24H,7-14H2,1-2H3